methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

C23H26N4O3 — CID 11711189

IUPACmethyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15-17(20(28)30-4)14-23(27(15)25-21(24)29)22(2,16-10-6-5-7-11-16)18-12-8-9-13-19(18)26(23)3/h5-13H,14H2,1-4H3,(H3,24,25,29)
InChIKeyZPQKGBGLARLNFN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.87
Rot. Bonds3

About methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate

methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (PubChem CID 11711189) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
PubChem CID11711189
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Namemethyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate
SMILESCOC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-15-17(20(28)30-4)14-23(27(15)25-21(24)29)22(2,16-10-6-5-7-11-16)18-12-8-9-13-19(18)26(23)3/h5-13H,14H2,1-4H3,(H3,24,25,29)
InChIKeyZPQKGBGLARLNFN-UHFFFAOYSA-N
XLogP2.87
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The IUPAC name of methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate (CID 11711189) is methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate.
What is the SMILES notation for methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The canonical SMILES for methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is COC(=O)C1=C(C)N(NC(N)=O)C2(C1)N(C)c1ccccc1C2(C)c1ccccc1.
What is the InChIKey of methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
The InChIKey is ZPQKGBGLARLNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-17(20(28)30-4)14-23(27(15)25-21(24)29)22(2,16-10-6-5-7-11-16)18-12-8-9-13-19(18)26(23)3/h5-13H,14H2,1-4H3,(H3,24,25,29).
What are the key properties of methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate?
methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate has a molecular weight of 406.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(carbamoylamino)-1',3',5-trimethyl-3'-phenylspiro[3H-pyrrole-2,2'-indole]-4-carboxylate is sourced from PubChem (CID 11711189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).